Geometry & MOs

Info

ID:	131082
PubChem CID:	51152917
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	376.04226
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	4.43
IP(EA), eV:	-9.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-bromophenoxy)butanoylamino]benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=CC(=C3)C(=O)N

DOS

IR

Vibrations